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ALA5208601 Name:
4-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[4-[1-(ditert-butylamino)oxyethyl]pheShow More⌵
Mol. Formula:
C36H58N6O8
M.W.:
702.89
Type:
---
AlogP:
3.52
Polar Surface Area:
186.48
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5201426 Name:
(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-eShow More⌵
Mol. Formula:
C32H29NO8
M.W.:
555.58
Type:
---
AlogP:
5.88
Polar Surface Area:
139.23
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5200090 Name:
3,6-di-O-acetyl-2-deoxy-D-glucose
Mol. Formula:
C10H16O7
M.W.:
248.23
Type:
---
AlogP:
-1.05
Polar Surface Area:
102.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5195582 Name:
(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-eShow More⌵
Mol. Formula:
C29H27NO7
M.W.:
501.54
Type:
---
AlogP:
3.81
Polar Surface Area:
121.21
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5193363 Name:
5-(4-(((8-aminooctyl)(methyl)amino)methyl)phenyl)-8-fluoro-2,3,4,6-tetrahydShow More⌵
Mol. Formula:
C27H35FN4O
M.W.:
450.60
Type:
---
AlogP:
4.99
Polar Surface Area:
74.15
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5189414 Name:
4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[(2S)-2-[[(1S)-2-methyl-1-[[4-[1-[(2,Show More⌵
Mol. Formula:
C37H58N6O8
M.W.:
714.90
Type:
---
AlogP:
3.67
Polar Surface Area:
186.48
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5186421 Name:
4-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[4-[1-(ditert-butylamino)oxyethyl]phenShow More⌵
Mol. Formula:
C36H57N5O9
M.W.:
703.88
Type:
---
AlogP:
3.49
Polar Surface Area:
183.68
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5181773 Name:
1-(5-carboxypentyl)-2-((E)-2-((E)-2-chloro-3-((E)-2-(1-(6-((4-(8-fluoro-6-oShow More⌵
Mol. Formula:
C61H68ClFN5O4+
M.W.:
989.70
Type:
---
AlogP:
13.34
Polar Surface Area:
108.75
HBA:
4
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5181750 Name:
1-(5-carboxypentyl)-2-((E)-2-((E)-2-chloro-3-((E)-2-(1-(6-((8-((4-(8-fluoroShow More⌵
Mol. Formula:
C69H83ClFN6O5+
M.W.:
1130.91
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5180831 Name:
1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-Show More⌵
Mol. Formula:
C32H29NO8
M.W.:
555.58
Type:
---
AlogP:
5.88
Polar Surface Area:
139.23
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5176707 Name:
(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-eShow More⌵
Mol. Formula:
C24H27NO7
M.W.:
441.48
Type:
---
AlogP:
3.07
Polar Surface Area:
121.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5170880 Name:
(R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-eShow More⌵
Mol. Formula:
C27H26BrNO7
M.W.:
556.41
Type:
---
AlogP:
4.53
Polar Surface Area:
130.00
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5169862 Name:
4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[(2S)-2-[[(1S)-2-methyl-1-[4-[1-[(2,2Show More⌵
Mol. Formula:
C37H57N5O9
M.W.:
715.89
Type:
---
AlogP:
3.63
Polar Surface Area:
183.68
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5094564 Name:
N-(3,4-dimethoxyphenyl)-2-((2,3-dimethylphenyl)amino)benzamide
Mol. Formula:
C23H24N2O3
M.W.:
376.46
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5094553 Name:
2-((3-(trifluoromethyl)phenyl)amino)-N-(3,4,5-trimethoxyphenyl)benzamide
Mol. Formula:
C23H21F3N2O4
M.W.:
446.43
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
68.82
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5094539 Name:
2-(benzylamino)-N-(4-methoxyphenyl)benzamide
Mol. Formula:
C21H20N2O2
M.W.:
332.40
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5093769 Name:
N-(4-methoxybenzyl)-2-(phenylamino)benzamide
Mol. Formula:
C21H20N2O2
M.W.:
332.40
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5093530 Name:
N-(2-(1H-indol-3-yl)ethyl)-7-amino-2,3-dihydro-[1,4]dioxino[2,3-g]quinolineShow More⌵
Mol. Formula:
C22H20N4O3
M.W.:
388.43
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
102.26
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5092573 Name:
(S)-3-(2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)-5-bromo-3-hydroxy-1-(4-methShow More⌵
Mol. Formula:
C25H20BrNO5
M.W.:
494.34
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
76.07
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA5092199 Name:
N-(benzo[d][1,3]dioxo1-5-yl)-2((3-chloro-2-methylphenyl)amino)benzamide
Mol. Formula:
C21H17ClN2O3
M.W.:
380.83
Type:
Unknown
AlogP:
5.37
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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